N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide

C23H27N5O — CID 127446917

IUPACN-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide
SMILESO=C(NC1CCCN(Cc2nnc3n2CCCC3)C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H27N5O/c29-23(19-11-10-17-6-1-2-7-18(17)14-19)24-20-8-5-12-27(15-20)16-22-26-25-21-9-3-4-13-28(21)22/h1-2,6-7,10-11,14,20H,3-5,8-9,12-13,15-16H2,(H,24,29)
InChIKeyMVEPKMUQYNJZEZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.16
Rot. Bonds4

About N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide

N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide (PubChem CID 127446917) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide
PubChem CID127446917
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide
SMILESO=C(NC1CCCN(Cc2nnc3n2CCCC3)C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H27N5O/c29-23(19-11-10-17-6-1-2-7-18(17)14-19)24-20-8-5-12-27(15-20)16-22-26-25-21-9-3-4-13-28(21)22/h1-2,6-7,10-11,14,20H,3-5,8-9,12-13,15-16H2,(H,24,29)
InChIKeyMVEPKMUQYNJZEZ-UHFFFAOYSA-N
XLogP3.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 46524881
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
CID 31053727
4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134802320
3-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134801337
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 94160787
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
methyl 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 113229250
N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22550936
N-[1-(3-aminobutanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 119821243
(2R)-2-naphthalen-2-yloxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 97152164
naphthalen-1-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methanone
CID 46449540
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55850896

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide (CID 127446917) is N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide is O=C(NC1CCCN(Cc2nnc3n2CCCC3)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is MVEPKMUQYNJZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(19-11-10-17-6-1-2-7-18(17)14-19)24-20-8-5-12-27(15-20)16-22-26-25-21-9-3-4-13-28(21)22/h1-2,6-7,10-11,14,20H,3-5,8-9,12-13,15-16H2,(H,24,29).
What are the key properties of N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide?
N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 127446917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).